CID 119093120

855221-82-8

Structural Information

Molecular Formula
C9H6O4
SMILES
C1C2=C(C=C(C=C2)C(=O)O)OC1=O
InChI
InChI=1S/C9H6O4/c10-8-4-5-1-2-6(9(11)12)3-7(5)13-8/h1-3H,4H2,(H,11,12)
InChIKey
JJANTHMVMSKFML-UHFFFAOYSA-N
Compound name
2-oxo-3H-1-benzofuran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.02661 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03389 131.4
[M+Na]+ 201.01583 140.7
[M-H]- 177.01933 135.9
[M+NH4]+ 196.06043 152.4
[M+K]+ 216.98977 139.8
[M+H-H2O]+ 161.02387 126.9
[M+HCOO]- 223.02481 153.0
[M+CH3COO]- 237.04046 176.2
[M+Na-2H]- 199.00128 137.5
[M]+ 178.02606 132.7
[M]- 178.02716 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe